Information card for entry 4509927

Structure parameters

• Formula: C144 H132 O18 Ru6 Sn6
• Calculated formula: C144 H132 O18 Ru6 Sn6
• SMILES: c1(ccccc1)[Sn]1234[O]=C([c]56[cH]7[cH]8[cH]9[cH]5[Ru]5%10%11%126789[cH]6[cH]5[cH]%12[cH]%10[cH]%116)O[Sn]567([O]1[Sn]18([O]=C([c]9%10[cH]%11[cH]%12[cH]%13[cH]9[Ru]9%14%15%16%10%11%12%13[cH]%12[cH]9[cH]%16[cH]%14[cH]%15%12)O[Sn]9%10([O]1[Sn]1%11([O]=C([c]%12%13[cH]%14[cH]%15[cH]%16[cH]%13[Ru]%13%17%18%19%12%14%15%16[cH]%15[cH]%13[cH]%19[cH]%17[cH]%18%15)O[Sn]([O]21)([O]=C([c]12[cH]%12[cH]%13[cH]%14[cH]1[Ru]1%15%16%172%12%13%14[cH]2[cH]1[cH]%15[cH]%16[cH]%172)O3)([O]9%11)([O]45)c1ccccc1)(c1ccccc1)OC(=[O]%10)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]19%10%112345[cH]2[cH]1[cH]9[cH]%10[cH]%112)([O]68)c1ccccc1)(c1ccccc1)OC(=[O]7)[c]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)c1ccccc1.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2
• Authors of publication: Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 861
• a: 22.117 Å
• b: 22.117 Å
• c: 24.215 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10258 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No